AC1M3W50
N-[2-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]ethyl]-3,4-dichlorobenzamide
Also Known As: N-[2-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]ethyl]-3,4-dichlorobenzamide|N-{2-[5-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}-3,4-dichlorobenzamide
CAS: 714281-84-2
| Molecular Formula | C21H20BrCl2N5O2S |
|---|---|
| Molecular Weight | 554.9898 g/mol |
| LogP | 5.0706 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 554.9898 |
| Monoisotopic Mass | 554.9898 |
| Heavy Atoms | 32 |
| Complexity | 1108.0695 |
Chemical Identifiers
| CAS Number | 714281-84-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Br)CCNC(=O)C3=CC(=C(C=C3)Cl)Cl |
Product Overview
AC1M3W50 (CAS 714281-84-2), with molecular formula C21H20BrCl2N5O2S and molecular weight 554.9898 g/mol. IUPAC: N-[2-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]ethyl]-3,4-dichlorobenzamide.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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